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Compound Detail

CHEMBL3105240

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Nc1nc2[nH]cc(CCCCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3105240
Phase Preclinical
Structure Type MOL
InChI Key FDCOTSRLXDAAIA-KRWDZBQOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

483.5
MW (Da)
2.23
ALogP
6
HBA
6
HBD
191.3
PSA (Ų)
0.20
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29N5O6
MW 483.53
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness 0.10

Literature References

PubMed DOI Target Context # Activities
24256410 10.1021/jm401328u NON-PROTEIN TARGET 4
24256410 10.1021/jm401328u KB 2
24256410 10.1021/jm401328u R2 2

Data from ChEMBL 36 via Core Engine